N-(4-chloro-2-iodophenyl)-3,6-dimethylpyridazine-4-carboxamide

C13H11ClIN3O — CID 103881032

IUPACN-(4-chloro-2-iodophenyl)-3,6-dimethylpyridazine-4-carboxamide
SMILESCc1cc(C(=O)Nc2ccc(Cl)cc2I)c(C)nn1
InChIInChI=1S/C13H11ClIN3O/c1-7-5-10(8(2)18-17-7)13(19)16-12-4-3-9(14)6-11(12)15/h3-6H,1-2H3,(H,16,19)
InChIKeyOBGBKIPLEPEMLK-UHFFFAOYSA-N
MW387.61 g/mol
LogP3.60
Rot. Bonds2

About N-(4-chloro-2-iodophenyl)-3,6-dimethylpyridazine-4-carboxamide

N-(4-chloro-2-iodophenyl)-3,6-dimethylpyridazine-4-carboxamide (PubChem CID 103881032) has the molecular formula C13H11ClIN3O and a molecular weight of 387.61 g/mol. Its IUPAC name is N-(4-chloro-2-iodophenyl)-3,6-dimethylpyridazine-4-carboxamide.

Molecular Properties

Compound NameN-(4-chloro-2-iodophenyl)-3,6-dimethylpyridazine-4-carboxamide
PubChem CID103881032
Molecular FormulaC13H11ClIN3O
Molecular Weight387.61 g/mol
Exact Mass386.96
IUPAC NameN-(4-chloro-2-iodophenyl)-3,6-dimethylpyridazine-4-carboxamide
SMILESCc1cc(C(=O)Nc2ccc(Cl)cc2I)c(C)nn1
InChIInChI=1S/C13H11ClIN3O/c1-7-5-10(8(2)18-17-7)13(19)16-12-4-3-9(14)6-11(12)15/h3-6H,1-2H3,(H,16,19)
InChIKeyOBGBKIPLEPEMLK-UHFFFAOYSA-N
XLogP3.60
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.61
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

Analyze N-(4-chloro-2-iodophenyl)-3,6-dimethylpyridazine-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-chloro-N-(4-chloro-2-iodophenyl)-2-iodobenzamide
CID 114030741
N-(4-chloro-2-pyridinyl)-3,6-dimethylpyridazine-4-carboxamide
CID 115876919
N-(4-chloro-2-iodophenyl)-2,4-dimethylbenzamide
CID 113257834
N-(4-chloro-2-iodophenyl)-4-methylthiadiazole-5-carboxamide
CID 103579448
N-(4-chloro-2-iodophenyl)-2,3,4-trifluorobenzamide
CID 103766916
N-(4-chloro-2-iodophenyl)-5-methylpyrazine-2-carboxamide
CID 113257804
N-(4-chloro-2-iodophenyl)-2,3-difluorobenzamide
CID 103766879
N-(3-bromo-4-iodophenyl)-3,6-dimethylpyridazine-4-carboxamide
CID 113344575
N-(4-chloro-2-iodophenyl)-3-methyl-1,2-oxazole-5-carboxamide
CID 103766730
methyl 2-[(3,6-dimethylpyridazine-4-carbonyl)amino]benzoate
CID 115872529
N-(4-chloro-2-iodophenyl)-5-methyl-1,2-oxazole-3-carboxamide
CID 103766897
3-amino-N-(4-chloro-2-iodophenyl)-2-methylbenzamide
CID 107624186

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-2-iodophenyl)-3,6-dimethylpyridazine-4-carboxamide?
The IUPAC name of N-(4-chloro-2-iodophenyl)-3,6-dimethylpyridazine-4-carboxamide (CID 103881032) is N-(4-chloro-2-iodophenyl)-3,6-dimethylpyridazine-4-carboxamide.
What is the SMILES notation for N-(4-chloro-2-iodophenyl)-3,6-dimethylpyridazine-4-carboxamide?
The canonical SMILES for N-(4-chloro-2-iodophenyl)-3,6-dimethylpyridazine-4-carboxamide is Cc1cc(C(=O)Nc2ccc(Cl)cc2I)c(C)nn1.
What is the InChIKey of N-(4-chloro-2-iodophenyl)-3,6-dimethylpyridazine-4-carboxamide?
The InChIKey is OBGBKIPLEPEMLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11ClIN3O/c1-7-5-10(8(2)18-17-7)13(19)16-12-4-3-9(14)6-11(12)15/h3-6H,1-2H3,(H,16,19).
What are the key properties of N-(4-chloro-2-iodophenyl)-3,6-dimethylpyridazine-4-carboxamide?
N-(4-chloro-2-iodophenyl)-3,6-dimethylpyridazine-4-carboxamide has a molecular weight of 387.61 g/mol, XLogP of 3.60, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-2-iodophenyl)-3,6-dimethylpyridazine-4-carboxamide is sourced from PubChem (CID 103881032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).